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MedKoo Cat#: 581176 | Name: Chlorothalonil

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Chlorothalonil is a an organochlorine, broad-spectrum and non-systemic fungicide[2], which can be widely used in agriculture, in order to have a control on foliar pathogens. Chlorothalonil is a broad spectrum fungicide with carcinogenic and aquatic toxicity properties.

Chemical Structure

Chlorothalonil
Chlorothalonil
CAS#1897-45-6

Theoretical Analysis

MedKoo Cat#: 581176

Name: Chlorothalonil

CAS#: 1897-45-6

Chemical Formula: C8Cl4N2

Exact Mass: 263.8816

Molecular Weight: 265.90

Elemental Analysis: C, 36.14; Cl, 53.33; N, 10.54

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Related CAS #
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Synonym
Chlorothalonil; DAC 2787; Daconil; Daconil M;
IUPAC/Chemical Name
1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-
InChi Key
CRQQGFGUEAVUIL-UHFFFAOYSA-N
InChi Code
InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
SMILES Code
N#CC1=C(Cl)C(Cl)=C(Cl)C(C#N)=C1Cl
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 265.90 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Gallo A, Tosti E. Reprotoxicity of the antifoulant chlorothalonil in ascidians: an ecological risk assessment. PLoS One. 2015 Apr 13;10(4):e0123074. doi: 10.1371/journal.pone.0123074. eCollection 2015. PubMed PMID: 25875759; PubMed Central PMCID: PMC4395331. 2: Wu X, Yin Y, Wang S, Yu Y. Accumulation of chlorothalonil and its metabolite, 4-hydroxychlorothalonil, in soil after repeated applications and its effects on soil microbial activities under greenhouse conditions. Environ Sci Pollut Res Int. 2014 Mar;21(5):3452-9. doi: 10.1007/s11356-013-2318-1. Epub 2013 Nov 19. PubMed PMID: 24243264. 3: Porras J, Fernández JJ, Torres-Palma RA, Richard C. Humic substances enhance chlorothalonil phototransformation via photoreduction and energy transfer. Environ Sci Technol. 2014 Feb 18;48(4):2218-25. doi: 10.1021/es404240x. Epub 2014 Feb 4. PubMed PMID: 24455968. 4: Van Scoy AR, Tjeerdema RS. Environmental fate and toxicology of chlorothalonil. Rev Environ Contam Toxicol. 2014;232:89-105. doi: 10.1007/978-3-319-06746-9_4. Review. PubMed PMID: 24984836. 5: Elias D, Bernot MJ. Effects of atrazine, metolachlor, carbaryl and chlorothalonil on benthic microbes and their nutrient dynamics. PLoS One. 2014 Oct 2;9(10):e109190. doi: 10.1371/journal.pone.0109190. eCollection 2014. PubMed PMID: 25275369; PubMed Central PMCID: PMC4183576. 6: Hirakawa Y, Yamasaki T, Watanabe E, Okazaki F, Murakami-Yamaguchi Y, Oda M, Iwasa S, Narita H, Miyake S. Development of an Immunosensor for Determination of the Fungicide Chlorothalonil in Vegetables, Using Surface Plasmon Resonance. J Agric Food Chem. 2015 Jul 22;63(28):6325-30. doi: 10.1021/acs.jafc.5b01980. Epub 2015 Jul 14. PubMed PMID: 26172540. 7: Zhang Q, Ji C, Yan L, Lu M, Lu C, Zhao M. The identification of the metabolites of chlorothalonil in zebrafish (Danio rerio) and their embryo toxicity and endocrine effects at environmentally relevant levels. Environ Pollut. 2016 Nov;218:8-15. doi: 10.1016/j.envpol.2016.08.026. Epub 2016 Aug 16. PubMed PMID: 27541960. 8: Ji RD, Zhao ZM, Chen ML, Wang LX, Zhu XY. Study on fluorescence spectra of chlorothalonil residues and the interaction between chlorothalonil and Chinese herbal medicines. Guang Pu Xue Yu Guang Pu Fen Xi. 2015 Feb;35(2):415-9. PubMed PMID: 25970903. 9: Okazaki F, Hirakawa Y, Yamaguchi-Murakami Y, Harada A, Watanabe E, Iwasa S, Narita H, Miyake S. Development of direct competitive ELISA for residue analysis of fungicide chlorothalonil in vegetables. Shokuhin Eiseigaku Zasshi. 2014;55(2):65-72. PubMed PMID: 24990551. 10: Monadjemi S, ter Halle A, Richard C. Accelerated dissipation of the herbicide cycloxydim on wax films in the presence of the fungicide chlorothalonil and under the action of solar light. J Agric Food Chem. 2014 May 28;62(21):4846-51. doi: 10.1021/jf500771s. Epub 2014 May 19. PubMed PMID: 24820122. 11: Xiong HX, Tan YQ, Shi TZ, Hua RM, Wu XW, Cao HQ, Li XD, Tang J. Effects of surfactants on the photolysis of chlorothalonil on pepper (Capsicum annuum var. grossum Sendt). Bull Environ Contam Toxicol. 2014 Feb;92(2):231-6. doi: 10.1007/s00128-013-1161-x. Epub 2013 Nov 27. PubMed PMID: 24280909. 12: Sánchez Garayzar AB, Bahamonde PA, Martyniuk CJ, Betancourt M, Munkittrick KR. Hepatic gene expression profiling in zebrafish (Danio rerio) exposed to the fungicide chlorothalonil. Comp Biochem Physiol Part D Genomics Proteomics. 2016 Sep;19:102-111. doi: 10.1016/j.cbd.2016.04.004. Epub 2016 May 2. PubMed PMID: 27264782. 13: King KW, Balogh JC. Event based analysis of chlorothalonil concentrations following application to managed turf. Environ Toxicol Chem. 2013 Mar;32(3):684-91. doi: 10.1002/etc.2092. PubMed PMID: 23233324. 14: Alza CM, Donnelly MA, Whitfield SM. Additive effects of mean temperature, temperature variability, and chlorothalonil to red-eyed treefrog (Agalychnis callidryas) larvae. Environ Toxicol Chem. 2016 Dec;35(12):2998-3004. doi: 10.1002/etc.3484. Epub 2016 Aug 30. PubMed PMID: 27163793. 15: Mirković B, Tanović B, Stević M, Hrustić J, Mihajlović M, Delibašić G, Vukša P. Toxicity of mancozeb, chlorothalonil, captan, fluopyram, boscalid, and difenoconazole to Didymella applanata isolates from Serbia. J Environ Sci Health B. 2015;50(12):845-50. doi: 10.1080/03601234.2015.1062648. Epub 2015 Aug 7. PubMed PMID: 26252498. 16: Yu S, Wages MR, Cobb GP, Maul JD. Effects of chlorothalonil on development and growth of amphibian embryos and larvae. Environ Pollut. 2013 Oct;181:329-34. doi: 10.1016/j.envpol.2013.06.017. Epub 2013 Jul 16. PubMed PMID: 23866729. 17: Méndez M, Obando P, Pinnock-Branford M, Ruepert C, Castillo LE, Mena F, Alvarado G. Acute, chronic and biochemical effects of chlorothalonil on Agalychnis callidryas, Isthmohyla pseudopuma and Smilisca baudinii tadpoles. Environ Sci Pollut Res Int. 2016 Nov;23(21):21238-21248. Epub 2016 Aug 5. PubMed PMID: 27495920. 18: Wu X, Cheng L, Cao Z, Yu Y. Accumulation of chlorothalonil successively applied to soil and its effect on microbial activity in soil. Ecotoxicol Environ Saf. 2012 Jul;81:65-9. doi: 10.1016/j.ecoenv.2012.04.017. Epub 2012 May 8. PubMed PMID: 22571947. 19: Zhang H, Nie Y, Zhang S, Wang WZ, Li H, Wang F, Lv X, Chen Z. Monitoring and probabilistic risk assessment of chlorothalonil residues in vegetables from Shandong province (China). Regul Toxicol Pharmacol. 2016 Oct;80:41-5. doi: 10.1016/j.yrtph.2016.05.035. Epub 2016 May 27. PubMed PMID: 27240750. 20: Bouchama S, de Sainte-Claire P, Arzoumanian E, Oliveros E, Boulkamh A, Richard C. Photoreactivity of the fungicide chlorothalonil in aqueous medium. Environ Sci Process Impacts. 2014 Apr;16(4):839-47. doi: 10.1039/c3em00537b. PubMed PMID: 24394661.